[AMBER] R.E.D. resp error

From: s. Bill <s_bill36.yahoo.co.uk>
Date: Thu, 12 Nov 2009 20:23:31 +0000 (GMT)

Dear AMBER
I am trying to calculate the atomic charge of one ligand using R.E.D. resp program. I have optimized my molecule using
#P HF/6-31G* Opt=Tight GFInput GFPrint SCF(Conver=8) Test
BUT I FREEZED some atoms during my optimization.
When I tried to use R.E.D. it gave me error "Invalid optimization output"
How can I treat this problem?
Cheers
S. Bill

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Received on Thu Nov 12 2009 - 12:30:02 PST
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